Information card for entry 7230345

Structure parameters

• Formula: C23 H13 Br O
• Calculated formula: C23 H13 Br O
• Title of publication: Aggregation-induced emission and the working mechanism of 1-benzoyl and 1-benzyl pyrene derivatives.
• Authors of publication: Zhang, Yingying; He, Bairong; Liu, Junkai; Hu, Shimin; Pan, Lingxiang; Zhao, Zujin; Tang, Ben Zhong
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 15
• Pages of publication: 9922 - 9929
• a: 7.905 ± 0.0005 Å
• b: 9.5802 ± 0.0005 Å
• c: 10.62 ± 0.0006 Å
• α: 94.977 ± 0.002°
• β: 101.008 ± 0.002°
• γ: 93.532 ± 0.002°
• Cell volume: 783.98 ± 0.08 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0549
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0717
• Weighted residual factors for all reflections included in the refinement: 0.0774
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No